Information card for entry 7206093

Structure parameters

• Chemical name: 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol with 9-carbopropoxyanthracene
• Formula: C66 H54 O6
• Calculated formula: C66 H54 O6
• Title of publication: Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds
• Authors of publication: Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 4376
• a: 9.341 ± 0.002 Å
• b: 10.333 ± 0.003 Å
• c: 14.545 ± 0.004 Å
• α: 109.68 ± 0.02°
• β: 99.28 ± 0.03°
• γ: 96.19 ± 0.03°
• Cell volume: 1284.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2073
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No